| CAS Number | 88398-55-4 |
| Catalog Number | AG00ILCC(AGN-PC-00M5CJ) |
| Chemical Name | 1H-Pyrazole-4-sulfonamide, 1,5-dimethyl- |
| IUPAC Name | 1,5-dimethylpyrazole-4-sulfonamide |
| InChI | InChI=1S/C5H9N3O2S/c1-4-5(11(6,9)10)3-7-8(4)2/h3H,1-2H3,(H2,6,9,10) |
| InChI Key | UQWGJSMSRNAREF-UHFFFAOYSA-N |
| MDL Number | MFCD07057501 |
| Molecular Formula | C5H9N3O2S |
| Molecular Weight | 175.2089 |
| SMILES | CC1N(C)N=CC=1S(N)(=O)=O |
| Synonyms | 1,5-Dimethyl-1H-pyrazole-4-sulfonamide,
88398-55-4,
SCHEMBL9202133,
ZINC13950193,
AKOS003859174,
1H-Pyrazole-4-sulfonamide, 1,5-dimethyl-,
CS-0052722,
Z2188171695,
1H-Pyrazole-4-sulfonamide, 1,5-dimethyl- (9CI),
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.206g/mol |
| Monoisotopic Mass | 175.042g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 86.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
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Certificate of Analysis
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